N-(3-cyanothiophen-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-2-thienyl)-3,5-dinitro-benzamide CAS Name: N-(3-cyano-2-thiophenyl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(3-cyano-2-thienyl)-3,5-dinitro-benzamide Formula: C12H6N4O5S MolecularWeight: 318.26484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C#N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1C#N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N4O5S/c13-6-7-1-2-22-12(7)14-11(17)8-3-9(15(18)19)5-10(4-8)16(20)21/h1-5H,(H,14,17)